rinikerlab/PyGromosTools

adding tops very slow

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adding multiple tops together is very slow. Especially for easy task like multiplying a top for a condensed phase simulation this is not necessary. A lot of overhead could be avoided by adding a multiply option.

  • top1.multiply(512) (multiply one top 512 time = add 511 copies of itself)
  • top1 *= 512 (should do same thing as above)

This would significantly speed up the creation of topologies